1-[(S)-(2,6-dimethoxy-4-methylphenyl)-thiophen-2-ylmethyl]piperazine

C18H24N2O2S — CID 171296575

IUPAC1-[(S)-(2,6-dimethoxy-4-methylphenyl)-thiophen-2-ylmethyl]piperazine
SMILESCOc1cc(C)cc(OC)c1[C@@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C18H24N2O2S/c1-13-11-14(21-2)17(15(12-13)22-3)18(16-5-4-10-23-16)20-8-6-19-7-9-20/h4-5,10-12,18-19H,6-9H2,1-3H3/t18-/m1/s1
InChIKeyUYHIKYQJNAPUKZ-GOSISDBHSA-N
MW332.47 g/mol
LogP3.07
Rot. Bonds5

About 1-[(S)-(2,6-dimethoxy-4-methylphenyl)-thiophen-2-ylmethyl]piperazine

1-[(S)-(2,6-dimethoxy-4-methylphenyl)-thiophen-2-ylmethyl]piperazine (PubChem CID 171296575) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-[(S)-(2,6-dimethoxy-4-methylphenyl)-thiophen-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(2,6-dimethoxy-4-methylphenyl)-thiophen-2-ylmethyl]piperazine
PubChem CID171296575
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name1-[(S)-(2,6-dimethoxy-4-methylphenyl)-thiophen-2-ylmethyl]piperazine
SMILESCOc1cc(C)cc(OC)c1[C@@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C18H24N2O2S/c1-13-11-14(21-2)17(15(12-13)22-3)18(16-5-4-10-23-16)20-8-6-19-7-9-20/h4-5,10-12,18-19H,6-9H2,1-3H3/t18-/m1/s1
InChIKeyUYHIKYQJNAPUKZ-GOSISDBHSA-N
XLogP3.07
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171284135
1-[(R)-(2,6-difluoro-3-methoxyphenyl)-thiophen-2-ylmethyl]piperazine
CID 171181458
1-[(S)-(4-methoxy-3-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171295210
1-[(S)-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 171177852
1-[(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethyl]piperazine
CID 171294727
1-[(S)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethyl]piperazine
CID 171290700
3-hydroxy-4-methoxy-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzonitrile
CID 171299136
1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171282621
1-[(R)-(2-methoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171284248
1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)ethyl]piperazine
CID 171296555
1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 92754603
1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171282622

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(2,6-dimethoxy-4-methylphenyl)-thiophen-2-ylmethyl]piperazine?
The IUPAC name of 1-[(S)-(2,6-dimethoxy-4-methylphenyl)-thiophen-2-ylmethyl]piperazine (CID 171296575) is 1-[(S)-(2,6-dimethoxy-4-methylphenyl)-thiophen-2-ylmethyl]piperazine.
What is the SMILES notation for 1-[(S)-(2,6-dimethoxy-4-methylphenyl)-thiophen-2-ylmethyl]piperazine?
The canonical SMILES for 1-[(S)-(2,6-dimethoxy-4-methylphenyl)-thiophen-2-ylmethyl]piperazine is COc1cc(C)cc(OC)c1[C@@H](c1cccs1)N1CCNCC1.
What is the InChIKey of 1-[(S)-(2,6-dimethoxy-4-methylphenyl)-thiophen-2-ylmethyl]piperazine?
The InChIKey is UYHIKYQJNAPUKZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-13-11-14(21-2)17(15(12-13)22-3)18(16-5-4-10-23-16)20-8-6-19-7-9-20/h4-5,10-12,18-19H,6-9H2,1-3H3/t18-/m1/s1.
What are the key properties of 1-[(S)-(2,6-dimethoxy-4-methylphenyl)-thiophen-2-ylmethyl]piperazine?
1-[(S)-(2,6-dimethoxy-4-methylphenyl)-thiophen-2-ylmethyl]piperazine has a molecular weight of 332.47 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(2,6-dimethoxy-4-methylphenyl)-thiophen-2-ylmethyl]piperazine is sourced from PubChem (CID 171296575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).